1-butoxybutane;bis(ethane-1,2-diol);prop-1-ene

C15H36O5 — CID 19977553

IUPAC1-butoxybutane;bis(ethane-1,2-diol);prop-1-ene
SMILESC=CC.CCCCOCCCC.OCCO.OCCO
InChIInChI=1S/C8H18O.C3H6.2C2H6O2/c1-3-5-7-9-8-6-4-2;1-3-2;2*3-1-2-4/h3-8H2,1-2H3;3H,1H2,2H3;2*3-4H,1-2H2
InChIKeyVJCRVYBJJLSIHT-UHFFFAOYSA-N
MW296.45 g/mol
LogP1.74
Rot. Bonds8

About 1-butoxybutane;bis(ethane-1,2-diol);prop-1-ene

1-butoxybutane;bis(ethane-1,2-diol);prop-1-ene (PubChem CID 19977553) has the molecular formula C15H36O5 and a molecular weight of 296.45 g/mol. Its IUPAC name is 1-butoxybutane;bis(ethane-1,2-diol);prop-1-ene.

Molecular Properties

Compound Name1-butoxybutane;bis(ethane-1,2-diol);prop-1-ene
PubChem CID19977553
Molecular FormulaC15H36O5
Molecular Weight296.45 g/mol
Exact Mass296.26
IUPAC Name1-butoxybutane;bis(ethane-1,2-diol);prop-1-ene
SMILESC=CC.CCCCOCCCC.OCCO.OCCO
InChIInChI=1S/C8H18O.C3H6.2C2H6O2/c1-3-5-7-9-8-6-4-2;1-3-2;2*3-1-2-4/h3-8H2,1-2H3;3H,1H2,2H3;2*3-4H,1-2H2
InChIKeyVJCRVYBJJLSIHT-UHFFFAOYSA-N
XLogP1.74
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 51.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-butoxybutane;bis(ethane-1,2-diol);prop-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-butoxybutane;bis(ethane-1,2-diol);prop-1-ene?
The IUPAC name of 1-butoxybutane;bis(ethane-1,2-diol);prop-1-ene (CID 19977553) is 1-butoxybutane;bis(ethane-1,2-diol);prop-1-ene.
What is the SMILES notation for 1-butoxybutane;bis(ethane-1,2-diol);prop-1-ene?
The canonical SMILES for 1-butoxybutane;bis(ethane-1,2-diol);prop-1-ene is C=CC.CCCCOCCCC.OCCO.OCCO.
What is the InChIKey of 1-butoxybutane;bis(ethane-1,2-diol);prop-1-ene?
The InChIKey is VJCRVYBJJLSIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O.C3H6.2C2H6O2/c1-3-5-7-9-8-6-4-2;1-3-2;2*3-1-2-4/h3-8H2,1-2H3;3H,1H2,2H3;2*3-4H,1-2H2.
What are the key properties of 1-butoxybutane;bis(ethane-1,2-diol);prop-1-ene?
1-butoxybutane;bis(ethane-1,2-diol);prop-1-ene has a molecular weight of 296.45 g/mol, XLogP of 1.74, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxybutane;bis(ethane-1,2-diol);prop-1-ene is sourced from PubChem (CID 19977553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).